1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene

C24H34O — CID 139601632

IUPAC1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene
SMILESCCc1ccc(CCOCCc2ccc(CC)cc2CC)c(CC)c1
InChIInChI=1S/C24H34O/c1-5-19-9-11-23(21(7-3)17-19)13-15-25-16-14-24-12-10-20(6-2)18-22(24)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKeyMASFGIKGFXSVSR-UHFFFAOYSA-N
MW338.54 g/mol
LogP5.74
Rot. Bonds10

About 1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene

1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene (PubChem CID 139601632) has the molecular formula C24H34O and a molecular weight of 338.54 g/mol. Its IUPAC name is 1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene.

Molecular Properties

Compound Name1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene
PubChem CID139601632
Molecular FormulaC24H34O
Molecular Weight338.54 g/mol
Exact Mass338.26
IUPAC Name1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene
SMILESCCc1ccc(CCOCCc2ccc(CC)cc2CC)c(CC)c1
InChIInChI=1S/C24H34O/c1-5-19-9-11-23(21(7-3)17-19)13-15-25-16-14-24-12-10-20(6-2)18-22(24)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3
InChIKeyMASFGIKGFXSVSR-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.54
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene?
The IUPAC name of 1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene (CID 139601632) is 1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene.
What is the SMILES notation for 1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene?
The canonical SMILES for 1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene is CCc1ccc(CCOCCc2ccc(CC)cc2CC)c(CC)c1.
What is the InChIKey of 1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene?
The InChIKey is MASFGIKGFXSVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O/c1-5-19-9-11-23(21(7-3)17-19)13-15-25-16-14-24-12-10-20(6-2)18-22(24)8-4/h9-12,17-18H,5-8,13-16H2,1-4H3.
What are the key properties of 1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene?
1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene has a molecular weight of 338.54 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene is sourced from PubChem (CID 139601632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).